General Information of the Compound
| Compound ID |
CP0908005
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| Compound Name |
SID121284981
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| Structure |
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| Formula |
C29H27N7O2
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| Molecular Weight |
505.582
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| Canonical SMILES |
Oc1nc2ccccc2n1C1CCN(C(c2cc3ccccc3o2)c2nnnn2Cc2ccccc2)CC1
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| InChI |
InChI=1S/C29H27N7O2/c37-29-30-23-11-5-6-12-24(23)36(29)22-14-16-34(17-15-22)27(26-18-21-10-4-7-13-25(21)38-26)28-31-32-33-35(28)19-20-8-2-1-3-9-20/h1-13,18,22,27H,14-17,19H2,(H,30,37)
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| InChIKey |
ZZCLLFFQXHFZQJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8